2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide

C13H16N2O3 — CID 108806273

IUPAC2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(C)c2onc(CC(=O)NCCO)c2c1
InChIInChI=1S/C13H16N2O3/c1-8-5-9(2)13-10(6-8)11(15-18-13)7-12(17)14-3-4-16/h5-6,16H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyBIBHZBREDPLPTM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.10
Rot. Bonds4

About 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 108806273) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID108806273
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
SMILESCc1cc(C)c2onc(CC(=O)NCCO)c2c1
InChIInChI=1S/C13H16N2O3/c1-8-5-9(2)13-10(6-8)11(15-18-13)7-12(17)14-3-4-16/h5-6,16H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyBIBHZBREDPLPTM-UHFFFAOYSA-N
XLogP1.10
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 108794494
N-(4-bromophenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794442
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 108806118
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 108806164
trans-(1S,2R)-2-[[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732395
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
CID 108794539
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]hexanoic acid
CID 108794587
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
CID 108806265
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-ethylsulfonylbutanoic acid
CID 108731731
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737269

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide (CID 108806273) is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide is Cc1cc(C)c2onc(CC(=O)NCCO)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is BIBHZBREDPLPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-5-9(2)13-10(6-8)11(15-18-13)7-12(17)14-3-4-16/h5-6,16H,3-4,7H2,1-2H3,(H,14,17).
What are the key properties of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide?
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 108806273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).